1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide

C19H27ClN6O — CID 3210366

IUPAC1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCC(C)CCn1nnnc1C(c1ccc(Cl)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H27ClN6O/c1-13(2)7-12-26-19(22-23-24-26)17(14-3-5-16(20)6-4-14)25-10-8-15(9-11-25)18(21)27/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,27)
InChIKeyNYOIDQJQJNIQEP-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.66
Rot. Bonds7

About 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide

1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 3210366) has the molecular formula C19H27ClN6O and a molecular weight of 390.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID3210366
Molecular FormulaC19H27ClN6O
Molecular Weight390.92 g/mol
Exact Mass390.19
IUPAC Name1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCC(C)CCn1nnnc1C(c1ccc(Cl)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H27ClN6O/c1-13(2)7-12-26-19(22-23-24-26)17(14-3-5-16(20)6-4-14)25-10-8-15(9-11-25)18(21)27/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,27)
InChIKeyNYOIDQJQJNIQEP-UHFFFAOYSA-N
XLogP2.66
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448688
1-[(S)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448690
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175654218
1-[(4-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209990
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 7391572
1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1446597
1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209845
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
1-[(R)-(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 7391700
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171668401
1-[(R)-(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine
CID 1433509
1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685851

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (CID 3210366) is 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is CC(C)CCn1nnnc1C(c1ccc(Cl)cc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is NYOIDQJQJNIQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN6O/c1-13(2)7-12-26-19(22-23-24-26)17(14-3-5-16(20)6-4-14)25-10-8-15(9-11-25)18(21)27/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,27).
What are the key properties of 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 390.92 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3210366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).